1-[4-[5-chloro-3-(2-methoxyethyl)thiophen-2-yl]-2,4,6-trimethylpiperidin-1-yl]-2,2,2-trifluoroethanone

C17H23ClF3NO2S — CID 167024569

IUPAC1-[4-[5-chloro-3-(2-methoxyethyl)thiophen-2-yl]-2,4,6-trimethylpiperidin-1-yl]-2,2,2-trifluoroethanone
SMILESCOCCc1cc(Cl)sc1C1(C)CC(C)N(C(=O)C(F)(F)F)C(C)C1
InChIInChI=1S/C17H23ClF3NO2S/c1-10-8-16(3,9-11(2)22(10)15(23)17(19,20)21)14-12(5-6-24-4)7-13(18)25-14/h7,10-11H,5-6,8-9H2,1-4H3
InChIKeyNVVOMVBPACFAPT-UHFFFAOYSA-N
MW397.89 g/mol
LogP4.81
Rot. Bonds4

About 1-[4-[5-chloro-3-(2-methoxyethyl)thiophen-2-yl]-2,4,6-trimethylpiperidin-1-yl]-2,2,2-trifluoroethanone

1-[4-[5-chloro-3-(2-methoxyethyl)thiophen-2-yl]-2,4,6-trimethylpiperidin-1-yl]-2,2,2-trifluoroethanone (PubChem CID 167024569) has the molecular formula C17H23ClF3NO2S and a molecular weight of 397.89 g/mol. Its IUPAC name is 1-[4-[5-chloro-3-(2-methoxyethyl)thiophen-2-yl]-2,4,6-trimethylpiperidin-1-yl]-2,2,2-trifluoroethanone.

Molecular Properties

Compound Name1-[4-[5-chloro-3-(2-methoxyethyl)thiophen-2-yl]-2,4,6-trimethylpiperidin-1-yl]-2,2,2-trifluoroethanone
PubChem CID167024569
Molecular FormulaC17H23ClF3NO2S
Molecular Weight397.89 g/mol
Exact Mass397.11
IUPAC Name1-[4-[5-chloro-3-(2-methoxyethyl)thiophen-2-yl]-2,4,6-trimethylpiperidin-1-yl]-2,2,2-trifluoroethanone
SMILESCOCCc1cc(Cl)sc1C1(C)CC(C)N(C(=O)C(F)(F)F)C(C)C1
InChIInChI=1S/C17H23ClF3NO2S/c1-10-8-16(3,9-11(2)22(10)15(23)17(19,20)21)14-12(5-6-24-4)7-13(18)25-14/h7,10-11H,5-6,8-9H2,1-4H3
InChIKeyNVVOMVBPACFAPT-UHFFFAOYSA-N
XLogP4.81
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.89
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[4-[5-chloro-3-(2-methoxyethyl)thiophen-2-yl]-2,4,6-trimethylpiperidin-1-yl]-2,2,2-trifluoroethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-[5-chloro-3-(2-methoxyethyl)thiophen-2-yl]-2,4,6-trimethylpiperidin-1-yl]-2,2,2-trifluoroethanone?
The IUPAC name of 1-[4-[5-chloro-3-(2-methoxyethyl)thiophen-2-yl]-2,4,6-trimethylpiperidin-1-yl]-2,2,2-trifluoroethanone (CID 167024569) is 1-[4-[5-chloro-3-(2-methoxyethyl)thiophen-2-yl]-2,4,6-trimethylpiperidin-1-yl]-2,2,2-trifluoroethanone.
What is the SMILES notation for 1-[4-[5-chloro-3-(2-methoxyethyl)thiophen-2-yl]-2,4,6-trimethylpiperidin-1-yl]-2,2,2-trifluoroethanone?
The canonical SMILES for 1-[4-[5-chloro-3-(2-methoxyethyl)thiophen-2-yl]-2,4,6-trimethylpiperidin-1-yl]-2,2,2-trifluoroethanone is COCCc1cc(Cl)sc1C1(C)CC(C)N(C(=O)C(F)(F)F)C(C)C1.
What is the InChIKey of 1-[4-[5-chloro-3-(2-methoxyethyl)thiophen-2-yl]-2,4,6-trimethylpiperidin-1-yl]-2,2,2-trifluoroethanone?
The InChIKey is NVVOMVBPACFAPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClF3NO2S/c1-10-8-16(3,9-11(2)22(10)15(23)17(19,20)21)14-12(5-6-24-4)7-13(18)25-14/h7,10-11H,5-6,8-9H2,1-4H3.
What are the key properties of 1-[4-[5-chloro-3-(2-methoxyethyl)thiophen-2-yl]-2,4,6-trimethylpiperidin-1-yl]-2,2,2-trifluoroethanone?
1-[4-[5-chloro-3-(2-methoxyethyl)thiophen-2-yl]-2,4,6-trimethylpiperidin-1-yl]-2,2,2-trifluoroethanone has a molecular weight of 397.89 g/mol, XLogP of 4.81, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[5-chloro-3-(2-methoxyethyl)thiophen-2-yl]-2,4,6-trimethylpiperidin-1-yl]-2,2,2-trifluoroethanone is sourced from PubChem (CID 167024569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).